HMDB0042086 RDKit 3D TG(14:0/14:0/20:4(8Z,11Z,14Z,17Z)) 147146 0 0 0 0 0 0 0 0999 V2000 3.3950 -1.5620 -5.5797 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0961 -1.4134 -4.2320 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5367 -1.4337 -4.4075 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3695 -0.4846 -4.0886 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9353 0.7983 -3.4790 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5928 0.9221 -2.1506 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9387 1.0439 -1.0373 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4702 1.0918 -0.8156 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1709 2.3671 -0.1247 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3678 3.3029 -0.4848 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5439 3.2783 -1.7236 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8432 4.4460 -2.5866 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2382 4.3580 -3.8141 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4602 3.1350 -4.5979 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6671 3.1480 -5.8613 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1539 3.2422 -5.5602 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4459 3.2049 -6.8873 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0009 3.2393 -6.9291 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8299 4.3411 -6.4618 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8803 4.7408 -5.0632 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1254 5.5993 -4.5518 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8293 4.1466 -4.2054 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9573 4.4638 -2.8596 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7283 4.1135 -2.1126 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.4429 2.6377 -2.2754 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4063 1.8196 -1.6260 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1844 0.4499 -1.6856 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1586 0.0454 -2.3089 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0703 -0.5635 -1.0633 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4787 -1.9457 -1.2338 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3518 -3.0060 -0.5977 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6810 -4.3618 -0.8049 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4820 -5.4733 -0.2096 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7344 -5.4012 1.2447 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5127 -5.4041 2.1264 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0075 -5.3508 3.5327 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9597 -5.3576 4.5979 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7082 -5.3169 5.9235 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8351 -5.3237 7.1242 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8972 -4.1367 7.1732 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0310 -4.1829 8.4241 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7642 4.3969 -0.7374 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8570 5.2249 -0.1145 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0384 5.7269 -0.8827 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7876 5.5960 1.2918 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8613 5.0623 2.1837 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8352 3.5372 2.1639 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8655 2.9671 3.0697 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9802 1.5038 3.0853 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9086 0.6203 3.5324 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5897 0.6024 2.8742 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1882 -0.5712 3.5488 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5477 -0.6794 2.9380 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3760 -1.8087 3.5012 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6328 -3.0970 3.2336 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3750 -4.3226 3.7214 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7192 -4.4618 3.0422 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4033 -0.6174 -6.1204 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8875 -2.3684 -6.1798 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3396 -1.8430 -5.3729 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7680 -2.3369 -3.6601 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6715 -0.5493 -3.7287 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9877 -2.3364 -4.8538 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4443 -0.5868 -4.2508 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8704 0.9076 -3.3772 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3675 1.6328 -4.0999 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7039 0.9053 -2.1231 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5911 1.1186 -0.1078 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9316 0.9274 -1.7325 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2075 0.2167 -0.1461 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7554 2.4764 0.8384 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2834 4.1949 0.1815 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4936 3.4665 -1.3495 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5849 2.3450 -2.2554 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7266 5.4734 -2.1657 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4321 5.3240 -4.3389 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5579 2.9874 -4.8092 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1239 2.2100 -4.0551 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8331 2.1745 -6.3957 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9583 3.9581 -6.5431 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0030 4.1398 -4.9645 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8802 2.3382 -4.9989 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9249 3.9658 -7.5869 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8435 2.2284 -7.3644 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2899 3.1022 -8.0479 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4344 2.2345 -6.5396 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6567 5.2536 -7.1322 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9134 4.0637 -6.7447 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8119 3.8701 -2.4355 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1973 5.5607 -2.8180 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8652 4.7009 -2.5210 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5409 2.4513 -3.3841 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4238 2.3587 -1.9726 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3210 -0.3026 -0.0378 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0284 -0.5361 -1.6594 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4644 -1.9250 -0.7896 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3651 -2.1715 -2.3097 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5199 -2.8406 0.4712 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3139 -3.0557 -1.1850 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6564 -4.2707 -0.4333 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6068 -4.5090 -1.9176 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0025 -6.4526 -0.4340 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4708 -5.4943 -0.7500 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3473 -4.5294 1.5583 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3379 -6.2962 1.5466 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0041 -6.4033 1.9990 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7521 -4.6487 1.8609 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6398 -6.2661 3.6804 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6922 -4.5006 3.7271 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2047 -4.5770 4.5124 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4310 -6.3343 4.5606 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4347 -6.1453 5.9889 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2945 -4.3659 5.9273 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5065 -5.2428 8.0104 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2903 -6.2808 7.2732 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2246 -4.2086 6.2903 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4844 -3.2119 7.2092 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4601 -3.5367 9.2297 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1166 -5.2235 8.7812 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9425 -3.7336 8.1604 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2109 5.3220 1.7402 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8303 6.7131 1.3599 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6405 5.4512 3.2143 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8380 5.4700 1.8503 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0955 3.2239 1.1392 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8033 3.2417 2.3289 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7259 3.3534 4.1287 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8851 3.3974 2.7910 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9550 1.2696 3.6665 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3404 1.2173 2.0294 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7641 0.8033 4.6611 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3379 -0.4444 3.5299 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5784 0.5086 1.7811 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0790 1.4696 3.1295 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2625 -0.2965 4.6019 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4326 -1.4552 3.3669 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4813 -0.7965 1.8199 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1437 0.2587 3.0800 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4109 -1.7977 3.1471 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3931 -1.6390 4.6164 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3826 -3.1429 2.1666 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7101 -3.0469 3.8922 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4283 -4.3027 4.8080 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7645 -5.1957 3.4111 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8198 -5.4346 2.5242 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4963 -4.3762 3.8284 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8270 -3.6155 2.3310 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 2 0 20 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 2 0 27 29 1 0 29 30 1 0 30 31 1 0 31 32 1 0 32 33 1 0 33 34 1 0 34 35 1 0 35 36 1 0 36 37 1 0 37 38 1 0 38 39 1 0 39 40 1 0 40 41 1 0 24 42 1 0 42 43 1 0 43 44 2 0 43 45 1 0 45 46 1 0 46 47 1 0 47 48 1 0 48 49 1 0 49 50 1 0 50 51 1 0 51 52 1 0 52 53 1 0 53 54 1 0 54 55 1 0 55 56 1 0 56 57 1 0 1 58 1 0 1 59 1 0 1 60 1 0 2 61 1 0 2 62 1 0 3 63 1 0 4 64 1 0 5 65 1 0 5 66 1 0 6 67 1 0 7 68 1 0 8 69 1 0 8 70 1 0 9 71 1 0 10 72 1 0 11 73 1 0 11 74 1 0 12 75 1 0 13 76 1 0 14 77 1 0 14 78 1 0 15 79 1 0 15 80 1 0 16 81 1 0 16 82 1 0 17 83 1 0 17 84 1 0 18 85 1 0 18 86 1 0 19 87 1 0 19 88 1 0 23 89 1 0 23 90 1 0 24 91 1 6 25 92 1 0 25 93 1 0 29 94 1 0 29 95 1 0 30 96 1 0 30 97 1 0 31 98 1 0 31 99 1 0 32100 1 0 32101 1 0 33102 1 0 33103 1 0 34104 1 0 34105 1 0 35106 1 0 35107 1 0 36108 1 0 36109 1 0 37110 1 0 37111 1 0 38112 1 0 38113 1 0 39114 1 0 39115 1 0 40116 1 0 40117 1 0 41118 1 0 41119 1 0 41120 1 0 45121 1 0 45122 1 0 46123 1 0 46124 1 0 47125 1 0 47126 1 0 48127 1 0 48128 1 0 49129 1 0 49130 1 0 50131 1 0 50132 1 0 51133 1 0 51134 1 0 52135 1 0 52136 1 0 53137 1 0 53138 1 0 54139 1 0 54140 1 0 55141 1 0 55142 1 0 56143 1 0 56144 1 0 57145 1 0 57146 1 0 57147 1 0 M END